16 dependents
| Package | Description | Downloads/month |
|---|---|---|
| XenonPy is a Python Software for Materials Informatics | 2K | |
| A collection of scripts to handle the Papyrus bioactivity dataset | 1K | |
| Gradient-booseted classifiers to predict the feasibility of enzymatic reactions | 831 | |
| Chemical descriptors is a powerful Python package facilitating calculation of fi... | 713 | |
| DILIPRedictor is an open-source app framework built specifically for human drug-... | 653 | |
| PolyMon | 468 | |
| Active Learning Molecular Selection | 458 | |
| ATOMSCI AMPL is an open-source Python package for molecular property prediction ... | 409 | |
| PKSmart: An Open-Source Computational Model to Predict in vivo Pharmacokinetics ... | 392 | |
| Python package to predict membrane permeability of cyclic peptides. | 196 | |
| Chemical descriptors is a powerful Python package facilitating calculation of fi... | 147 | |
| Molecular Complexity Calculations | 119 | |
| Molecular Property Optimization with Molecular Descriptors over Actively Identif... | 104 | |
| Thermodynamic-informed model for predicting thermophysical properties of fluids | 79 | |
| Physics-informed ML for thermal fluid property prediction | 71 | |
| evaluate molecule properties | 66 |
